CID 12567700

(2r,3s)-dimethyl oxirane-2,3-dicarboxylate

Structural Information

Molecular Formula
C6H8O5
SMILES
COC(=O)[C@H]1[C@H](O1)C(=O)OC
InChI
InChI=1S/C6H8O5/c1-9-5(7)3-4(11-3)6(8)10-2/h3-4H,1-2H3/t3-,4+
InChIKey
KAGHUYFLGPUYKE-ZXZARUISSA-N
Compound name
dimethyl (2R,3S)-oxirane-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

160.03717 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04445 131.0
[M+Na]+ 183.02639 141.3
[M-H]- 159.02989 137.0
[M+NH4]+ 178.07099 146.0
[M+K]+ 199.00033 142.1
[M+H-H2O]+ 143.03443 125.3
[M+HCOO]- 205.03537 153.6
[M+CH3COO]- 219.05102 179.0
[M+Na-2H]- 181.01184 136.6
[M]+ 160.03662 139.0
[M]- 160.03772 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe